100 void matchModification_(
const double mass,
const std::string & origin, std::string & modification_description);
char16_t XMLCh
Definition ClassTest.h:30
Base class for loading and storing XML files via Xerces, with optional schema validation and transpar...
Definition XMLFile.h:38
Base class for XML handlers.
Definition XMLHandler.h:316
Represents a single spectrum match (candidate) for a specific tandem mass spectrum (MS/MS).
Definition PeptideHit.h:52
Represents the set of candidates (SpectrumMatches) identified for a single precursor spectrum.
Definition PeptideIdentification.h:66
Used to load (storing not supported, yet) ProtXML files.
Definition ProtXMLFile.h:44
ProteinIdentification::ProteinGroup ProteinGroup
A protein group (set of indices into ProteinIdentification)
Definition ProtXMLFile.h:48
ProtXMLFile()
Constructor.
PeptideHit * pep_hit_
Temporary peptide hit.
Definition ProtXMLFile.h:109
ProteinIdentification * prot_id_
Pointer to protein identification.
Definition ProtXMLFile.h:105
void store(const std::string &filename, const ProteinIdentification &protein_ids, const PeptideIdentification &peptide_ids, const std::string &document_id="")
[not implemented yet!] Stores the data in an ProtXML file
PeptideIdentification * pep_id_
Pointer to peptide identification.
Definition ProtXMLFile.h:107
ProteinGroup protein_group_
protein group
Definition ProtXMLFile.h:111
void startElement(const XMLCh *const, const XMLCh *const, const XMLCh *const qname, const xercesc::Attributes &attributes) override
Docu in base class.
void matchModification_(const double mass, const std::string &origin, std::string &modification_description)
find modification name given a modified AA mass
void load(const std::string &filename, ProteinIdentification &protein_ids, PeptideIdentification &peptide_ids)
Loads the identifications of an ProtXML file without identifier.
void endElement(const XMLCh *const, const XMLCh *const, const XMLCh *const qname) override
Docu in base class.
void registerProtein_(const std::string &protein_name)
Creates a new protein entry (if not already present) and appends it to the current group.
void resetMembers_()
reset members after reading/writing
Bundles multiple (e.g. indistinguishable) proteins in a group.
Definition ProteinIdentification.h:73
Representation of a protein identification run.
Definition ProteinIdentification.h:55
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19